2-[(5-cyclopropyl-4-pentan-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(5-cyclopropyl-4-pentan-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclopropyl-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[(5-cyclopropyl-4-pentan-3-yl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(5-cyclopropyl-4-pentan-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[[5-cyclopropyl-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H19N3O2S MolecularWeight: 269.36316

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=NN=C1SCC(=O)O)C2CC2

Isomeric SMILES

CCC(CC)N1C(=NN=C1SCC(=O)O)C2CC2

InChI

InChI=1S/C12H19N3O2S/c1-3-9(4-2)15-11(8-5-6-8)13-14-12(15)18-7-10(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)